Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf8c3a9bc8852767087a12ac4d01f0de",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 60.402,
"b": 60.402,
"c": 95.855,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.310,1.500],
"number_observations": 281442,
"number_observations_unique": 32996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 7236,
"number_observations_unique": 1570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [52.310,8.220],
"number_observations": 2137,
"number_observations_unique": 255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 67.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}